22,22-dimethyl-27-oxa-4,33-diaza-6,50-diazoniatetradecacyclo[26.22.1.14,17.133,46.01,6.02,26.03,23.05,10.011,16.032,51.034,39.040,45.021,53.050,52]tripentaconta-2(26),3(23),5(10),6,8,11,13,15,17(53),18,20,24,28,30,32(51),34,36,38,40,42,44,46(52),47,49-tetracosaene

C50H32N4O+2 — CID 158149292

About 22,22-dimethyl-27-oxa-4,33-diaza-6,50-diazoniatetradecacyclo[26.22.1.14,17.133,46.01,6.02,26.03,23.05,10.011,16.032,51.034,39.040,45.021,53.050,52]tripentaconta-2(26),3(23),5(10),6,8,11,13,15,17(53),18,20,24,28,30,32(51),34,36,38,40,42,44,46(52),47,49-tetracosaene

22,22-dimethyl-27-oxa-4,33-diaza-6,50-diazoniatetradecacyclo[26.22.1.14,17.133,46.01,6.02,26.03,23.05,10.011,16.032,51.034,39.040,45.021,53.050,52]tripentaconta-2(26),3(23),5(10),6,8,11,13,15,17(53),18,20,24,28,30,32(51),34,36,38,40,42,44,46(52),47,49-tetracosaene (PubChem CID 158149292) has the molecular formula C50H32N4O+2 and a molecular weight of 704.83 g/mol. Its IUPAC name is 22,22-dimethyl-27-oxa-4,33-diaza-6,50-diazoniatetradecacyclo[26.22.1.14,17.133,46.01,6.02,26.03,23.05,10.011,16.032,51.034,39.040,45.021,53.050,52]tripentaconta-2(26),3(23),5(10),6,8,11,13,15,17(53),18,20,24,28,30,32(51),34,36,38,40,42,44,46(52),47,49-tetracosaene.

Molecular Properties

• Compound Name: 22,22-dimethyl-27-oxa-4,33-diaza-6,50-diazoniatetradecacyclo[26.22.1.14,17.133,46.01,6.02,26.03,23.05,10.011,16.032,51.034,39.040,45.021,53.050,52]tripentaconta-2(26),3(23),5(10),6,8,11,13,15,17(53),18,20,24,28,30,32(51),34,36,38,40,42,44,46(52),47,49-tetracosaene
• PubChem CID: 158149292
• Molecular Formula: C50H32N4O+2
• Molecular Weight: 704.83 g/mol
• Exact Mass: 704.26
• IUPAC Name: 22,22-dimethyl-27-oxa-4,33-diaza-6,50-diazoniatetradecacyclo[26.22.1.14,17.133,46.01,6.02,26.03,23.05,10.011,16.032,51.034,39.040,45.021,53.050,52]tripentaconta-2(26),3(23),5(10),6,8,11,13,15,17(53),18,20,24,28,30,32(51),34,36,38,40,42,44,46(52),47,49-tetracosaene
• SMILES: CC1(C)c2cccc3c2N2c4c1ccc1c4C4(c5c(cccc5N5c6ccccc6-c6ccccc6-c6ccc[n+]4c65)O1)[n+]1cccc(c12)-c1ccccc1-3
• InChI: InChI=1S/C50H32N4O/c1-49(2)37-21-9-18-34-30-14-4-6-16-32(30)36-20-12-28-52-48(36)54(45(34)37)46-38(49)25-26-42-44(46)50(52)43-40(23-10-24-41(43)55-42)53-39-22-8-7-17-33(39)29-13-3-5-15-31(29)35-19-11-27-51(50)47(35)53/h3-28H,1-2H3/q+2
• InChIKey: BRORPQBQGUKWGY-UHFFFAOYSA-N
• XLogP: 11.17
• TPSA: 23.47 Ų
• H-Bond Acceptors: 3
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	704.83
LogP ≤ 5	11.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 22,22-dimethyl-27-oxa-4,33-diaza-6,50-diazoniatetradecacyclo[26.22.1.14,17.133,46.01,6.02,26.03,23.05,10.011,16.032,51.034,39.040,45.021,53.050,52]tripentaconta-2(26),3(23),5(10),6,8,11,13,15,17(53),18,20,24,28,30,32(51),34,36,38,40,42,44,46(52),47,49-tetracosaene?

The IUPAC name of 22,22-dimethyl-27-oxa-4,33-diaza-6,50-diazoniatetradecacyclo[26.22.1.14,17.133,46.01,6.02,26.03,23.05,10.011,16.032,51.034,39.040,45.021,53.050,52]tripentaconta-2(26),3(23),5(10),6,8,11,13,15,17(53),18,20,24,28,30,32(51),34,36,38,40,42,44,46(52),47,49-tetracosaene (CID 158149292) is 22,22-dimethyl-27-oxa-4,33-diaza-6,50-diazoniatetradecacyclo[26.22.1.14,17.133,46.01,6.02,26.03,23.05,10.011,16.032,51.034,39.040,45.021,53.050,52]tripentaconta-2(26),3(23),5(10),6,8,11,13,15,17(53),18,20,24,28,30,32(51),34,36,38,40,42,44,46(52),47,49-tetracosaene.

What is the SMILES notation for 22,22-dimethyl-27-oxa-4,33-diaza-6,50-diazoniatetradecacyclo[26.22.1.14,17.133,46.01,6.02,26.03,23.05,10.011,16.032,51.034,39.040,45.021,53.050,52]tripentaconta-2(26),3(23),5(10),6,8,11,13,15,17(53),18,20,24,28,30,32(51),34,36,38,40,42,44,46(52),47,49-tetracosaene?

The canonical SMILES for 22,22-dimethyl-27-oxa-4,33-diaza-6,50-diazoniatetradecacyclo[26.22.1.14,17.133,46.01,6.02,26.03,23.05,10.011,16.032,51.034,39.040,45.021,53.050,52]tripentaconta-2(26),3(23),5(10),6,8,11,13,15,17(53),18,20,24,28,30,32(51),34,36,38,40,42,44,46(52),47,49-tetracosaene is CC1(C)c2cccc3c2N2c4c1ccc1c4C4(c5c(cccc5N5c6ccccc6-c6ccccc6-c6ccc[n+]4c65)O1)[n+]1cccc(c12)-c1ccccc1-3.

What is the InChIKey of 22,22-dimethyl-27-oxa-4,33-diaza-6,50-diazoniatetradecacyclo[26.22.1.14,17.133,46.01,6.02,26.03,23.05,10.011,16.032,51.034,39.040,45.021,53.050,52]tripentaconta-2(26),3(23),5(10),6,8,11,13,15,17(53),18,20,24,28,30,32(51),34,36,38,40,42,44,46(52),47,49-tetracosaene?

The InChIKey is BRORPQBQGUKWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4O/c1-49(2)37-21-9-18-34-30-14-4-6-16-32(30)36-20-12-28-52-48(36)54(45(34)37)46-38(49)25-26-42-44(46)50(52)43-40(23-10-24-41(43)55-42)53-39-22-8-7-17-33(39)29-13-3-5-15-31(29)35-19-11-27-51(50)47(35)53/h3-28H,1-2H3/q+2.

What are the key properties of 22,22-dimethyl-27-oxa-4,33-diaza-6,50-diazoniatetradecacyclo[26.22.1.14,17.133,46.01,6.02,26.03,23.05,10.011,16.032,51.034,39.040,45.021,53.050,52]tripentaconta-2(26),3(23),5(10),6,8,11,13,15,17(53),18,20,24,28,30,32(51),34,36,38,40,42,44,46(52),47,49-tetracosaene?

22,22-dimethyl-27-oxa-4,33-diaza-6,50-diazoniatetradecacyclo[26.22.1.14,17.133,46.01,6.02,26.03,23.05,10.011,16.032,51.034,39.040,45.021,53.050,52]tripentaconta-2(26),3(23),5(10),6,8,11,13,15,17(53),18,20,24,28,30,32(51),34,36,38,40,42,44,46(52),47,49-tetracosaene has a molecular weight of 704.83 g/mol, XLogP of 11.17, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 22,22-dimethyl-27-oxa-4,33-diaza-6,50-diazoniatetradecacyclo[26.22.1.14,17.133,46.01,6.02,26.03,23.05,10.011,16.032,51.034,39.040,45.021,53.050,52]tripentaconta-2(26),3(23),5(10),6,8,11,13,15,17(53),18,20,24,28,30,32(51),34,36,38,40,42,44,46(52),47,49-tetracosaene is sourced from PubChem (CID 158149292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).